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138736-92-2 | 1,2-Cyclobutanedimethanol, 3,3-dimethoxy-, (1S,2S)-
CAS No: 138736-92-2 Catalog No: AG0019GA MDL No:
Product Description
Catalog Number:
AG0019GA
Chemical Name:
1,2-Cyclobutanedimethanol, 3,3-dimethoxy-, (1S,2S)-
CAS Number:
138736-92-2
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
IUPAC Name:
[(1S,2S)-2-(hydroxymethyl)-3,3-dimethoxycyclobutyl]methanol
InChI:
InChI=1S/C8H16O4/c1-11-8(12-2)3-6(4-9)7(8)5-10/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m1/s1
InChI Key:
GFOWJYFIBONBSM-RNFRBKRXSA-N
SMILES:
OC[C@@H]1[C@@H](CO)CC1(OC)OC
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
176.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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